orbital_charges     :real:2:4,3
  0.166460945835465E+001  0.172665360754916E+001  0.130789830944998E+001
  0.200000000000000E+001  0.650419312323110E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.650419312323110E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,3
 -0.221867129593410E-030 -0.924073490249732E+000 -0.693889390390723E-016
 -0.120562862182749E-015  0.462036745124866E+000  0.521787677347057E+000
  0.120562862182749E-015  0.462036745124866E+000 -0.521787677347057E+000
mermin_energy       :real:0:
 -0.383651674438402E+001
end_coords          :real:2:3,3
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.944862994289462E+000  0.944862994289462E+000
  0.000000000000000E+000  0.944862994289462E+000 -0.944862994289462E+000
